4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile

C17H17NO4 — CID 51142108

IUPAC4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
SMILESCOc1cccc(OC)c1OCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H17NO4/c1-19-15-4-3-5-16(20-2)17(15)22-11-10-21-14-8-6-13(12-18)7-9-14/h3-9H,10-11H2,1-2H3
InChIKeyZGGMAKMLUBYSBP-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.03
Rot. Bonds7

About 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile

4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile (PubChem CID 51142108) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
PubChem CID51142108
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
SMILESCOc1cccc(OC)c1OCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H17NO4/c1-19-15-4-3-5-16(20-2)17(15)22-11-10-21-14-8-6-13(12-18)7-9-14/h3-9H,10-11H2,1-2H3
InChIKeyZGGMAKMLUBYSBP-UHFFFAOYSA-N
XLogP3.03
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 4808212
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
4-[3-(2,6-dibromophenoxy)propoxy]benzonitrile
CID 43289580
4-[2-(2,3,6-trimethylphenoxy)ethoxy]benzonitrile
CID 20990076
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
4-[(2,6-dimethoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481454
4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile
CID 20992555
5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
CID 39427302

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile (CID 51142108) is 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile is COc1cccc(OC)c1OCCOc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile?
The InChIKey is ZGGMAKMLUBYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-19-15-4-3-5-16(20-2)17(15)22-11-10-21-14-8-6-13(12-18)7-9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile?
4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 51142108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).